{"id":"W2086898377","doi":"10.1021/ja5077525","title":"Hydrogen Activation by an Aromatic Triphosphabenzene","year":2014,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Asymmetric Hydrogenation and Catalysis","field":"Chemistry","cited_by":80,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs","keywords":"Chemistry; Molecule; Acceptor; Hydride; Aromaticity; Density functional theory; Photochemistry; Reagent; Hydrogen bond; Hydrogen; Computational chemistry; Crystallography; Organic chemistry","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002970239,0.0001211195,0.0002943808,0.00001414981,0.00007935876,0.00002506546,0.0005091368,0.00005869133,0.0001062405],"category_scores_gemma":[0.0002555164,0.00008141604,0.0004927706,0.0004727944,0.0001387231,0.0001274025,0.00004979634,0.0002956298,0.000004396879],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001733275,"about_ca_system_score_gemma":0.00003651883,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001807474,"about_ca_topic_score_gemma":6.986802e-8,"domain_scores_codex":[0.9988017,0.00003461911,0.0003855287,0.0001234853,0.00048631,0.0001683205],"domain_scores_gemma":[0.998429,0.0001278709,0.0009604758,0.0002728167,0.00006501346,0.0001448468],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00001398287,0.0001176556,0.0005072704,0.000007581571,0.0001230364,8.915995e-8,0.0001306644,0.00002484444,0.9752139,0.000003272114,0.008024431,0.01583329],"study_design_scores_gemma":[0.0003804956,0.00002476908,0.0000755337,0.00001289715,0.00007803454,0.00001226678,0.0002978367,0.002231008,0.9872037,0.0002043404,0.009370108,0.0001090642],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9973906,0.00004184836,0.0008102756,0.0009403031,0.00002234498,0.0000173116,0.000003001504,0.0000181152,0.0007561985],"genre_scores_gemma":[0.9977726,0.00002270617,0.0007314196,0.001054817,0.0002149021,0.000001663471,0.000007333398,0.00001678599,0.0001777662],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01572422,"threshold_uncertainty_score":0.332005,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006002672133111113,"score_gpt":0.2314122041727094,"score_spread":0.2254095320395983,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}